Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIQRSGRFERIKKPLKSDMNVVPYIDVMLVLLVIFMVTAPMITSGIKVDLPQANNHPIESKDMPAMVTIGKDGNIYLQYEDYKDNEPLSLEKLESVLSEAQKKAEQENKQLTVLVNGDKTRPYGEVVSLMASLQEAGLTQVGLLTEPLK--- 2PFU Chain:A ((43-141)) --------------------------------------------MDVKVNLPASTSTPQPRPEKPVYLSVKADNSMFIGNDPVTDET----------MITALNALTEGKKDTTIFFRADKTVDYETLMKVMDTLHQAGYLKIGLVGEETAKAK

General information: TITO was launched using: RESULT: Template: 2PFU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 245 -23187 -94.64 -241.53 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -94.64 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_2PFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PFU-query.scw PDB file : Tito_Scwrl_2PFU.pdb: